MCULE-2343849956
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 36 USD | 95 | 22 working days | Get Quote |
| 5 mg | 103 USD | 95 | 22 working days | Get Quote |
| 10 mg | 171 USD | 95 | 22 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-2343849956.sdf |
| SMILES | MCULE-2343849956.smiles |
| Standard InChI | MCULE-2343849956.inchi |
| InChIKey | MCULE-2343849956.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867620711 | 95 | As is | in stock |
| P-869332619 | 95 | As is | in stock |
| P-893544837 | 90 | As is | 349 mg |
| P-580236589 | 95 | As is | by synthesis |
| P-851541913 | N/A | As is | by synthesis |
| P-867715310 | N/A | As is | in stock |
| P-865917437 | 98 | As is | 250 mg |
| P-889585783 | 95 | As is | in stock |
| P-901462260 | 95 | As is | by synthesis |
| P-873242317 | 97 | As is | 5 mg |
| P-889877301 | 95 | As is | by synthesis |
| P-892228413 | 95 | As is | by synthesis |
| P-869175994 | 95 | As is | in stock |
| P-892290924 | 95 | As is | unavailable |
| P-892321798 | 95 | As is | 6 mg |
| P-868535897 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 223.354 |
| logP | 3.8422 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.4657 |
| Atoms | 41 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 25 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |

